(E)-3-[3-bromanyl-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: (E)-3-[3-bromanyl-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-cyano-prop-2-enoate Openeye Name: (E)-3-[3-bromo-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-bromo-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-cyano-2-propenoate IUPAC Name: (E)-3-[3-bromo-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-bromo-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-cyano-acrylate Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=C(C=C(C=C2)C=C(C#N)C(=O)[O-])Br

Isomeric SMILES

C1COCC[NH+]1CCOC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)[O-])Br

InChI

InChI=1S/C16H17BrN2O4/c17-14-10-12(9-13(11-18)16(20)21)1-2-15(14)23-8-5-19-3-6-22-7-4-19/h1-2,9-10H,3-8H2,(H,20,21)/b13-9+